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Ligand

NameSCHEMBL1717126
Molecular formulaC24H23FN4O4
IUPAC name3-[(2R,5R)-5-[(5-fluoropyridin-2-yl)oxymethyl]-2-methylpiperidine-1-carbonyl]-4-pyrimidin-2-ylbenzoic acid
Molecular weight450.47
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.1
SynonymsCHEMBL3655668
BDBM104695
US8569311, H-4
Inchi KeyNAEPLEBEZUHESC-HZPDHXFCSA-N
Inchi IDInChI=1S/C24H23FN4O4/c1-15-3-4-16(14-33-21-8-6-18(25)12-28-21)13-29(15)23(30)20-11-17(24(31)32)5-7-19(20)22-26-9-2-10-27-22/h2,5-12,15-16H,3-4,13-14H2,1H3,(H,31,32)/t15-,16-/m1/s1
PubChem CID25123839
ChEMBLCHEMBL3655668
IUPHARN/A
BindingDB104695
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
218367Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
218366Orexin receptor type 2P56719Hcrtr2Rattus norvegicus (Rat)460

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